3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C15H16N4O2 — CID 130284682

IUPAC3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2CCOC2=O)n1)c1ccccc1
InChIInChI=1S/C15H16N4O2/c1-11(12-5-3-2-4-6-12)17-14-16-8-7-13(18-14)19-9-10-21-15(19)20/h2-8,11H,9-10H2,1H3,(H,16,17,18)/t11-/m0/s1
InChIKeyVRCPPSXFONHTQP-NSHDSACASA-N
MW284.32 g/mol
LogP2.61
Rot. Bonds4

About 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 130284682) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID130284682
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1nccc(N2CCOC2=O)n1)c1ccccc1
InChIInChI=1S/C15H16N4O2/c1-11(12-5-3-2-4-6-12)17-14-16-8-7-13(18-14)19-9-10-21-15(19)20/h2-8,11H,9-10H2,1H3,(H,16,17,18)/t11-/m0/s1
InChIKeyVRCPPSXFONHTQP-NSHDSACASA-N
XLogP2.61
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[[(1S)-1-(4-tert-butylphenyl)ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285288
3-[2-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285907
3-[2-[1-[4-(2-methyl-4-pyridinyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285433
3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285255
3-[2-[1-(2-methyl-1,2,4-triazol-3-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285088
4-[1-[4-[(1S)-1-[[4-(2-oxo-1,3-oxazolidin-3-yl)pyrimidin-2-yl]amino]ethyl]phenyl]propyl]piperazine-1-carboxylic acid
CID 139507676
3-[2-[1-(6-chloro-1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285405
4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890728
N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884450
5,5-dimethyl-3-[2-[1-(4-phenylphenyl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285962
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890732
(4S)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-4-pyridin-4-yl-1,3-oxazolidin-2-one
CID 89489740

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 130284682) is 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2CCOC2=O)n1)c1ccccc1.
What is the InChIKey of 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is VRCPPSXFONHTQP-NSHDSACASA-N. The full InChI is InChI=1S/C15H16N4O2/c1-11(12-5-3-2-4-6-12)17-14-16-8-7-13(18-14)19-9-10-21-15(19)20/h2-8,11H,9-10H2,1H3,(H,16,17,18)/t11-/m0/s1.
What are the key properties of 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 284.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 130284682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).